General Information of the Compound
| Compound ID |
CP0553586
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| Compound Name |
US9416127, 18
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| Structure |
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| Formula |
C20H21N5O2
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| Molecular Weight |
363.421
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| Canonical SMILES |
Cc1ccc(cc1)-n1ncc(n1)C(=O)Nc1ccc(cc1)[C@H]1CNCCO1
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| InChI |
InChI=1S/C20H21N5O2/c1-14-2-8-17(9-3-14)25-22-12-18(24-25)20(26)23-16-6-4-15(5-7-16)19-13-21-10-11-27-19/h2-9,12,19,21H,10-11,13H2,1H3,(H,23,26)/t19-/m1/s1
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| InChIKey |
YVICFXHLANGWOS-LJQANCHMSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03226, Trace amine-associated receptor 1
Protein ID: PT03501, Trace amine-associated receptor 1